1-(2-methylpyrazol-3-yl)-N-[(4-methylthiophen-3-yl)methyl]ethanamine

C12H17N3S — CID 106757924

IUPAC1-(2-methylpyrazol-3-yl)-N-[(4-methylthiophen-3-yl)methyl]ethanamine
SMILESCc1cscc1CNC(C)c1ccnn1C
InChIInChI=1S/C12H17N3S/c1-9-7-16-8-11(9)6-13-10(2)12-4-5-14-15(12)3/h4-5,7-8,10,13H,6H2,1-3H3
InChIKeySVGYJBWEYPWWLY-UHFFFAOYSA-N
MW235.36 g/mol
LogP2.64
Rot. Bonds4

About 1-(2-methylpyrazol-3-yl)-N-[(4-methylthiophen-3-yl)methyl]ethanamine

1-(2-methylpyrazol-3-yl)-N-[(4-methylthiophen-3-yl)methyl]ethanamine (PubChem CID 106757924) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is 1-(2-methylpyrazol-3-yl)-N-[(4-methylthiophen-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2-methylpyrazol-3-yl)-N-[(4-methylthiophen-3-yl)methyl]ethanamine
PubChem CID106757924
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC Name1-(2-methylpyrazol-3-yl)-N-[(4-methylthiophen-3-yl)methyl]ethanamine
SMILESCc1cscc1CNC(C)c1ccnn1C
InChIInChI=1S/C12H17N3S/c1-9-7-16-8-11(9)6-13-10(2)12-4-5-14-15(12)3/h4-5,7-8,10,13H,6H2,1-3H3
InChIKeySVGYJBWEYPWWLY-UHFFFAOYSA-N
XLogP2.64
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methylphenyl)methyl]-1-(2-methylpyrazol-3-yl)ethanamine
CID 106757542
1-(2-methylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine
CID 106757796
N-benzyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 106756794
N'-[1-(2-methylpyrazol-3-yl)ethyl]ethane-1,2-diamine
CID 66657947
2-(2-methylpyrazol-3-yl)-N-[(4-methylthiophen-3-yl)methyl]ethanamine
CID 103001687
2,2-difluoro-N-[1-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 106757996
1-(2-methylpyrazol-3-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 106757633
2-ethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-1-amine
CID 106758131
2-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]prop-2-en-1-amine
CID 106758152
3,3,3-trifluoro-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 106757793
4-[1-(2-methylpyrazol-3-yl)ethylamino]butanamide
CID 106757536
N-(cyclohexylmethyl)-1-(2-methylpyrazol-3-yl)ethanamine
CID 106757054

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrazol-3-yl)-N-[(4-methylthiophen-3-yl)methyl]ethanamine?
The IUPAC name of 1-(2-methylpyrazol-3-yl)-N-[(4-methylthiophen-3-yl)methyl]ethanamine (CID 106757924) is 1-(2-methylpyrazol-3-yl)-N-[(4-methylthiophen-3-yl)methyl]ethanamine.
What is the SMILES notation for 1-(2-methylpyrazol-3-yl)-N-[(4-methylthiophen-3-yl)methyl]ethanamine?
The canonical SMILES for 1-(2-methylpyrazol-3-yl)-N-[(4-methylthiophen-3-yl)methyl]ethanamine is Cc1cscc1CNC(C)c1ccnn1C.
What is the InChIKey of 1-(2-methylpyrazol-3-yl)-N-[(4-methylthiophen-3-yl)methyl]ethanamine?
The InChIKey is SVGYJBWEYPWWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-9-7-16-8-11(9)6-13-10(2)12-4-5-14-15(12)3/h4-5,7-8,10,13H,6H2,1-3H3.
What are the key properties of 1-(2-methylpyrazol-3-yl)-N-[(4-methylthiophen-3-yl)methyl]ethanamine?
1-(2-methylpyrazol-3-yl)-N-[(4-methylthiophen-3-yl)methyl]ethanamine has a molecular weight of 235.36 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrazol-3-yl)-N-[(4-methylthiophen-3-yl)methyl]ethanamine is sourced from PubChem (CID 106757924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).